C-F...pi, F...H, and F...F intermolecular interactions and F-aggregation: Role in crystal engineering of fluoroorganic compounds Full article
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Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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| Output data | Year: 2009, Volume: 50, Number: 4, Pages: 741-753 Pages count : 13 DOI: 10.1007/s10947-009-0113-0 | ||
| Tags | C-F center dot center dot center dot pi; F center dot center dot center dot H; F center dot center dot center dot F intermolecuar interactions; F-aggregation; quantum-topological analysis; quantum-chemical calculations | ||
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Abstract:
Systematization of the available literature data on C-F...pi, F...H, and F...F interactions, namely, statistical studies of the geometry of the corresponding contacts were carried out using the Cambridge Structural Database (CSD) and theoretical quantum-chemical estimations of their energies. The most typical supramolecular motifs (finite or infinite) involving the F atom were revealed based on recent X-ray studies of a few dozens of fluoroarenes carried out at the Novosibirsk Institute of Organic Chemistry. Our recent data were summarized. To assess the role of the above interactions, we used topological analysis of electron density distribution in terms of Bader's QTAIM theory. Our DFT/PBE/3z quantum-chemical calculations of the interaction energies of molecular pairs in diazafluorene crystals formed by C-F...pi, C-F...H, and F...F nonvalent short contacts are presented.
Cite:
Rybalova T.V.
, Bagryanskaya I.Y.
C-F...pi, F...H, and F...F intermolecular interactions and F-aggregation: Role in crystal engineering of fluoroorganic compounds
Journal of Structural Chemistry. 2009. V.50. N4. P.741-753. DOI: 10.1007/s10947-009-0113-0 WOS Scopus РИНЦ OpenAlex
C-F...pi, F...H, and F...F intermolecular interactions and F-aggregation: Role in crystal engineering of fluoroorganic compounds
Journal of Structural Chemistry. 2009. V.50. N4. P.741-753. DOI: 10.1007/s10947-009-0113-0 WOS Scopus РИНЦ OpenAlex
Original:
Рыбалова Т.В.
, Багрянская И.Ю.
Роль межмолекулярных взаимодействий с-f…π, f…н и f…f в инженерии кристаллов фторорганических соединений, f-агрегация
Журнал структурной химии (J STRUCT CHEM+). 2009. Т.50. №4. С.767-769. РИНЦ
Роль межмолекулярных взаимодействий с-f…π, f…н и f…f в инженерии кристаллов фторорганических соединений, f-агрегация
Журнал структурной химии (J STRUCT CHEM+). 2009. Т.50. №4. С.767-769. РИНЦ
Dates:
| Published print: | Aug 1, 2009 |
| Published online: | Sep 10, 2009 |
Identifiers:
| Web of science: | WOS:000269957400021 |
| Scopus: | 2-s2.0-70350679166 |
| Elibrary: | 15306849 |
| OpenAlex: | W2043949233 |